CID 216264

Tosulur

Structural Information

Molecular Formula

C₁₁H₁₅NO₅S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCOC

InChI

InChI=1S/C11H15NO5S/c1-9-3-5-10(6-4-9)18(14,15)12-11(13)17-8-7-16-2/h3-6H,7-8H2,1-2H3,(H,12,13)

InChIKey

PQJSDDQJZWHYLB-UHFFFAOYSA-N

Compound name

2-methoxyethyl N-(4-methylphenyl)sulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 35
Patents: 273.0671 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.074376	158.3
[M+Na]+	296.056318	165.3
[M-H]-	272.059824	162.0
[M+NH4]+	291.100923	174.6
[M+K]+	312.030258	163.4
[M+H-H2O]+	256.064360	151.7
[M+HCOO]-	318.065301	176.9
[M+CH3COO]-	332.080951	194.9
[M+Na-2H]-	294.041766	162.1
[M]+	273.06655142	164.4
[M]-	273.06764858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe